# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47153803
_cell_length_b   4.77227590
_cell_length_c   47.86591576
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.99658189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   545.34323831
_cell_formula_units_Z   22
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni1  1  0.579975  0.154416  0.295320  1
  Ni  Ni2  1  0.313549  0.621735  0.301057  1
  Ni  Ni3  1  0.972047  0.938569  0.334738  1
  Ni  Ni4  1  0.704876  0.404313  0.340928  1
  Ni  Ni5  1  0.364452  0.723341  0.374557  1
  Ni  Ni6  1  0.097271  0.189048  0.381034  1
  Ni  Ni7  1  0.757296  0.508985  0.414603  1
  Ni  Ni8  1  0.489812  0.974084  0.421099  1
  Ni  Ni9  1  0.149959  0.294265  0.454643  1
  Ni  Ni10  1  0.882464  0.759340  0.461165  1
  Ni  Ni11  1  0.542644  0.079589  0.494695  1
  Ni  Ni12  1  0.275124  0.544614  0.501219  1
  Ni  Ni13  1  0.935304  0.864863  0.534748  1
  Ni  Ni14  1  0.667809  0.329938  0.541270  1
  Ni  Ni15  1  0.327955  0.650120  0.574815  1
  Ni  Ni16  1  0.060471  0.115218  0.581310  1
  Ni  Ni17  1  0.720497  0.435155  0.614880  1
  Ni  Ni18  1  0.453315  0.900863  0.621356  1
  Ni  Ni19  1  0.112891  0.219891  0.654985  1
  Ni  Ni20  1  0.845721  0.685634  0.661175  1
  Ni  Ni21  1  0.504218  1.002468  0.694856  1
  Ni  Ni22  1  0.237793  0.469787  0.700593  1
